SCHEMBL6826580

SCHEMBL6826580

Cc1cc(OC(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 6/20 0.51
TSHR P16473 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH3A1 P30838 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9299423 0.87 ALDH1A1 (0.50) MAPTLMNAMEN1HTTKMT2A
SCHEMBL29502892 0.87 ALDH1A1 (0.50) MAPTLMNAMEN1HTTKMT2A
SCHEMBL6584963 0.85 TSHR (0.51) MAPTLMNAMEN1HTTKMT2A
SCHEMBL21835757 0.81 ALDH1A1 (0.46) MAPTLMNAMEN1HTTKMT2A
SCHEMBL30977610 0.81 ATM (0.55) MAPTLMNAMEN1HTTKMT2A
SCHEMBL692339 0.81 ATM (0.55) MAPTLMNAMEN1HTTKMT2A
SCHEMBL4323918 0.81 LMNA (0.49) MAPTLMNAMEN1HTTKMT2A
SCHEMBL30720021 0.80 GPR35 (0.51) MAPTLMNAMEN1HTTKMT2A
SCHEMBL19554275 0.80 MAPT (0.58) MAPTLMNAMEN1HTTKMT2A
SCHEMBL13807644 0.80 MAPT (0.49) MAPTLMNAMEN1HTTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150277-A1 Covalent PPARG inverse-agonists BAYER AKTIENGESELLSCHAFT (DE) 2024-05-09 US disclosed
US-20040248877-A1 Polycyclic diazodioxide-based Bcl-2 protein antagonists and use thereof RICERCA BIOSCIENCES, LLC. 2004-12-09 US disclosed
WO-2004099162-A1 POLYCYCLIC DIAZODIOXIDE-BASED BCL-2 PROTEIN ANTAGONIST RICERCA BIOSCIENCES, LLC. (US) 2004-11-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240150277-A1 Covalent PPARG inverse-agonists PPARG, PPARD, PPARA MAPT 4826/4885LMNA 716/4885MEN1 4688/4885
US-20040248877-A1 Polycyclic diazodioxide-based Bcl-2 protein antagonists and use thereof BCL2L2, BCL2, BCL2L1 MAPT 4829/4885LMNA 2452/4885MEN1 4318/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.